SCHEMBL6151433

SCHEMBL6151433

CCN1CCN(c2ccc(N)c(C)c2)CCN(c2ccc(N)c(C)c2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 5/20 1.00
RAD52 P43351 4/20 1.00
MAPT P10636 6/20 0.62
KDM4E B2RXH2 3/20 0.62
GFER P55789 2/20 0.62
SMN1; SMN2 Q16637 1/20 0.62
CHRNA7 P36544 1/20 0.51
MAPK1 P28482 2/20 0.46
HTT P42858 2/20 0.46
RECQL P46063 1/20 0.46
PTK2B Q14289 1/20 0.46
KHK P50053 2/20 0.46
DRD3 P35462 3/20 0.42
HRH3 Q9Y5N1 2/20 0.42
ADORA2A P29274 1/20 0.42
ADORA1 P30542 1/20 0.42
TP53 P04637 1/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2378263 1.00 GAA (1.00) GAARAD52MAPTKDM4EGFER
SCHEMBL15358759 0.88 GAA (0.77) GAARAD52MAPTKDM4EGFER
SCHEMBL6151434 0.88 GAA (0.77) GAARAD52MAPTKDM4EGFER
SCHEMBL2376617 0.87 GAA (0.77) GAARAD52MAPTKDM4EGFER
SCHEMBL3847676 0.86 GAA (0.76) GAARAD52MAPTKDM4EGFER
SCHEMBL30724194 0.86 GAA (0.76) GAARAD52MAPTKDM4EGFER
SCHEMBL6151541 0.84 GAA (0.72) GAARAD52MAPTKDM4EGFER
SCHEMBL15803912 0.83 GAA (0.70) GAARAD52MAPTKDM4EGFER
SCHEMBL22652063 0.83 GAA (0.70) GAARAD52MAPTKDM4EGFER
SCHEMBL6151852 0.83 GAA (0.70) GAARAD52MAPTKDM4EGFER

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050120494-A1 Triazacyclononane derivatives substituted on at least one of the nitrogen atoms with a substituted or unsubstituted 4'-aminophenyl group, for dyeing keratin fibres L'OREAL S.A. (FR) 2005-06-09 US claimed
EP-1518860-A1 Triazacyclononane derivatives substituted on at least one of the nitrogene atoms by a 4-aminophenyle group for dyeing keratinic fibres L'OREAL (FR) 2005-03-30 EP claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20050120494-A1 Triazacyclononane derivatives substituted on at least one of the nitrogen atoms with a substituted or unsubstituted 4'-aminophenyl group, for dyeing keratin fibres KRT18, TUBB6, TUBB1 GAA 4694/4885RAD52 553/4885MAPT 945/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.